5-Chloro-3-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2-hydroxybenzenesulfonic acid
Basic information
- CAS
25746-81-0- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cc(Cl)cc(S(=O)(=O)O)c1O- InChIKey
LSFNRVBPDLEXDS-UHFFFAOYSA-N- Molecular formula
- C16H13ClN4O5S
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.0295184
Overview
See also: Mordant Red 19 (annotation moved to).
Names & identifiers
- Preferred name
- 5-Chloro-3-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2-hydroxybenzenesulfonic acid
- IUPAC
- 5-chloro-2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid
Names & synonyms
25746-81-05-Chloro-3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2-hydroxybenzenesulfonic acid5-CHLORO-3-(2-(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)DIAZENYL)-2-HYDROXYBENZENESULFONIC ACIDRefChem:198884Mordant red 19Acid Chrome Red 5GC.I. 18735NSC326195EINECS 247-233-61934-24-3UNII-9X3KZ37M9XSCHEMBL591960
Show more names
SCHEMBL23065002LSFNRVBPDLEXDS-UHFFFAOYSA-NDTXSID4011101615-Chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulphonic acidC.I. Mordant Red 19 (*Monosodium salt*)NS00048322Q41176655-chloro-2-hydroxy-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonic acid
Database identifiers
- CAS
25746-81-0- PubChem CID
- 72673
- DTXSID
DTXSID401110161- EC Number
- 247-233-6
- Nikkaji
- J287.316H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 732
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…